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Crystal structure of diaquabis(2,6-dimethylpyrazine-κN)bis(thiocyanato-κN)cobalt(II) 2,5-dimethylpyrazine trisolvate
In the crystal structure of the title compound, [Co(NCS)(2)(C(6)H(8)N(2))(2)(H(2)O)(2)]·3C(6)H(8)N(2), the Co(II) cation is coordinated by two terminally N-bound thiocyanate anions, two water molecules and two 2,6-dimethylpyrazine ligands, forming a discrete complex with a slightly distorted oct...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719868/ https://www.ncbi.nlm.nih.gov/pubmed/26870459 http://dx.doi.org/10.1107/S2056989015024184 |
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author | Suckert, Stefan Wöhlert, Susanne Jess, Inke Näther, Christian |
author_facet | Suckert, Stefan Wöhlert, Susanne Jess, Inke Näther, Christian |
author_sort | Suckert, Stefan |
collection | PubMed |
description | In the crystal structure of the title compound, [Co(NCS)(2)(C(6)H(8)N(2))(2)(H(2)O)(2)]·3C(6)H(8)N(2), the Co(II) cation is coordinated by two terminally N-bound thiocyanate anions, two water molecules and two 2,6-dimethylpyrazine ligands, forming a discrete complex with a slightly distorted octahedral N(4)O(2) coordination environment. The asymmetric unit contains one Co(II) cation and three halves of 2,5-dimethylpyrazine solvate molecules, all entities being completed by inversion symmetry, as well as one thiocyanate anion, an aqua ligand and a 2,6-dimethylpyrazine ligand, all in general positions. In the crystal, discrete complexes are arranged in a way that cavities are formed where the noncoordinating 2,5-dimethylpyrazine molecules are located. The coordination of the latter to the metal is prevented due to the bulky methyl groups in vicinal positions to the N atoms, leading to a preferential coordination through the 2,6-dimethylpyrazine ligands. The complex molecules are linked by O—H⋯N hydrogen bonds between the water H atoms and the N atoms of 2,5-dimethylpyrazine solvent molecules, leading to a layered structure extending parallel to (100). |
format | Online Article Text |
id | pubmed-4719868 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-47198682016-02-11 Crystal structure of diaquabis(2,6-dimethylpyrazine-κN)bis(thiocyanato-κN)cobalt(II) 2,5-dimethylpyrazine trisolvate Suckert, Stefan Wöhlert, Susanne Jess, Inke Näther, Christian Acta Crystallogr E Crystallogr Commun Data Reports In the crystal structure of the title compound, [Co(NCS)(2)(C(6)H(8)N(2))(2)(H(2)O)(2)]·3C(6)H(8)N(2), the Co(II) cation is coordinated by two terminally N-bound thiocyanate anions, two water molecules and two 2,6-dimethylpyrazine ligands, forming a discrete complex with a slightly distorted octahedral N(4)O(2) coordination environment. The asymmetric unit contains one Co(II) cation and three halves of 2,5-dimethylpyrazine solvate molecules, all entities being completed by inversion symmetry, as well as one thiocyanate anion, an aqua ligand and a 2,6-dimethylpyrazine ligand, all in general positions. In the crystal, discrete complexes are arranged in a way that cavities are formed where the noncoordinating 2,5-dimethylpyrazine molecules are located. The coordination of the latter to the metal is prevented due to the bulky methyl groups in vicinal positions to the N atoms, leading to a preferential coordination through the 2,6-dimethylpyrazine ligands. The complex molecules are linked by O—H⋯N hydrogen bonds between the water H atoms and the N atoms of 2,5-dimethylpyrazine solvent molecules, leading to a layered structure extending parallel to (100). International Union of Crystallography 2015-12-24 /pmc/articles/PMC4719868/ /pubmed/26870459 http://dx.doi.org/10.1107/S2056989015024184 Text en © Suckert et al. 2015 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Data Reports Suckert, Stefan Wöhlert, Susanne Jess, Inke Näther, Christian Crystal structure of diaquabis(2,6-dimethylpyrazine-κN)bis(thiocyanato-κN)cobalt(II) 2,5-dimethylpyrazine trisolvate |
title | Crystal structure of diaquabis(2,6-dimethylpyrazine-κN)bis(thiocyanato-κN)cobalt(II) 2,5-dimethylpyrazine trisolvate |
title_full | Crystal structure of diaquabis(2,6-dimethylpyrazine-κN)bis(thiocyanato-κN)cobalt(II) 2,5-dimethylpyrazine trisolvate |
title_fullStr | Crystal structure of diaquabis(2,6-dimethylpyrazine-κN)bis(thiocyanato-κN)cobalt(II) 2,5-dimethylpyrazine trisolvate |
title_full_unstemmed | Crystal structure of diaquabis(2,6-dimethylpyrazine-κN)bis(thiocyanato-κN)cobalt(II) 2,5-dimethylpyrazine trisolvate |
title_short | Crystal structure of diaquabis(2,6-dimethylpyrazine-κN)bis(thiocyanato-κN)cobalt(II) 2,5-dimethylpyrazine trisolvate |
title_sort | crystal structure of diaquabis(2,6-dimethylpyrazine-κn)bis(thiocyanato-κn)cobalt(ii) 2,5-dimethylpyrazine trisolvate |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719868/ https://www.ncbi.nlm.nih.gov/pubmed/26870459 http://dx.doi.org/10.1107/S2056989015024184 |
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